Geometry & MOs

Info

ID:

186118

PubChem CID:

77391810

Reduced:

FS2N6O9C32H33 (1)

Stoich.:

AB2C6D9E32F33 (1)

Weight, g/mol:

791.366947

ΔHf, kcal/mol:

-253.37

Dipole, Da:

5.97

IP(EA), eV:

 -9.06(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[3-[6-[2-(2-benzyl-5-methoxyphenyl)-1-hydroxyethyl]-5-[(2-benzyl-5-methoxyphenyl)methyl]-3,4,5-trihydroxyoxan-2-yl]oxypropyl]carbamate

Drug info:

PubChemData

Smile

CC(COCC1=CC(=CC=C1)OCCO)(C(=O)O)NC(=O)C(CC2=CC=C(C=C2)F)N3C=C(N=N3)COC4=CC5=C(C=C4)N=C(S5)S(=O)(=O)N

DOS

IR

Vibrations